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	hartrees
Energy at 0K	-192.795425
Energy at 298.15K	-192.796914
HF Energy	-192.795425
Nuclear repulsion energy	122.471185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3009	0.00
2	A₁	1980	1895	0.00
3	A₁	1428	1366	0.00
4	A₁	761	728	0.00
5	B₁	701	670	0.00
6	B₂	3144	3008	0.91
7	B₂	2260	2162	199.51
8	B₂	1521	1455	22.99
9	B₂	1328	1271	6.62
10	E	3225	3086	0.32
10	E	3225	3086	0.32
11	E	1002	959	0.23
11	E	1002	959	0.23
12	E	857	820	59.39
12	E	857	820	59.39
13	E	541	518	0.71
13	E	541	518	0.71
14	E	337	322	0.17
14	E	337	322	0.17
15	E	152	145	4.57
15	E	152	145	4.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.273
C3	0.000	0.000	-1.273
C4	0.000	0.000	2.580
C5	0.000	0.000	-2.580
H6	0.000	0.928	3.142
H7	0.000	-0.928	3.142
H8	0.928	0.000	-3.142
H9	-0.928	0.000	-3.142

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2731	1.2731	2.5803	2.5803	3.2765	3.2765	3.2765	3.2765
C2	1.2731		2.5462	1.3072	3.8534	2.0869	2.0869	4.5119	4.5119
C3	1.2731	2.5462		3.8534	1.3072	4.5119	4.5119	2.0869	2.0869
C4	2.5803	1.3072	3.8534		5.1607	1.0851	1.0851	5.7974	5.7974
C5	2.5803	3.8534	1.3072	5.1607		5.7974	5.7974	1.0851	1.0851
H6	3.2765	2.0869	4.5119	1.0851	5.7974		1.8567	6.4201	6.4201
H7	3.2765	2.0869	4.5119	1.0851	5.7974	1.8567		6.4201	6.4201
H8	3.2765	4.5119	2.0869	5.7974	1.0851	6.4201	6.4201		1.8567
H9	3.2765	4.5119	2.0869	5.7974	1.0851	6.4201	6.4201	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	121.185
C2	C4	H7	121.185	C3	C5	H8	121.185
C3	C5	H9	121.185	H6	C4	H7	117.630
H8	C5	H9	117.630

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.119
2	C	-0.132
3	C	-0.132
4	C	-0.235
5	C	-0.235
6	H	0.154
7	H	0.154
8	H	0.154
9	H	0.154

<r²>	158.985
(<r²>)^1/2	12.609

All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)